2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide

C24H33N2O+ — CID 92525899

IUPAC2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide
SMILESC[C@@H]1CCC[C@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O/c1-19-11-10-12-20(2)26(19,3)18-17-24(23(25)27,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,19-20H,10-12,17-18H2,1-3H3,(H-,25,27)/p+1/t19-,20+,26?
InChIKeyWUXYHGRAKMMVOK-NJEHHLDASA-O
MW365.54 g/mol
LogP4.26
Rot. Bonds6

About 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide

2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide (PubChem CID 92525899) has the molecular formula C24H33N2O+ and a molecular weight of 365.54 g/mol. Its IUPAC name is 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide.

Molecular Properties

Compound Name2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide
PubChem CID92525899
Molecular FormulaC24H33N2O+
Molecular Weight365.54 g/mol
Exact Mass365.26
IUPAC Name2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide
SMILESC[C@@H]1CCC[C@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O/c1-19-11-10-12-20(2)26(19,3)18-17-24(23(25)27,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,19-20H,10-12,17-18H2,1-3H3,(H-,25,27)/p+1/t19-,20+,26?
InChIKeyWUXYHGRAKMMVOK-NJEHHLDASA-O
XLogP4.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-4-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)butanamide
CID 3031584
4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide
CID 3088093
2,2-diphenyl-4-(1-propan-2-ylpyrrolidin-1-ium-1-yl)butanamide
CID 3031579
2,2-diphenylhexanamide;hydrochloride
CID 142429226
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium
CID 8277
(4-amino-4-oxo-3,3-diphenylbutyl)-tri(propan-2-yl)azanium bromide
CID 3026428
N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
CID 3030672
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
(4-amino-4-oxo-3,3-diphenylbutyl)-diethyl-propan-2-ylazanium bromide
CID 3026418
(1S)-1-phenyl-2-[(2R,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]ethanol
CID 101381465

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide?
The IUPAC name of 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide (CID 92525899) is 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide.
What is the SMILES notation for 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide?
The canonical SMILES for 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide is C[C@@H]1CCC[C@H](C)[N+]1(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide?
The InChIKey is WUXYHGRAKMMVOK-NJEHHLDASA-O. The full InChI is InChI=1S/C24H32N2O/c1-19-11-10-12-20(2)26(19,3)18-17-24(23(25)27,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,19-20H,10-12,17-18H2,1-3H3,(H-,25,27)/p+1/t19-,20+,26?.
What are the key properties of 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide?
2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide has a molecular weight of 365.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-[(2S,6R)-1,2,6-trimethylpiperidin-1-ium-1-yl]butanamide is sourced from PubChem (CID 92525899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).